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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Jun-2025	Allethrin_RS_CONF89_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40095611; Eh
29-Jun-2025	Allethrin_RS_CONF90_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40378995; Eh
29-Jun-2025	Allethrin_RS_CONF83_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40382543; Eh
29-Jun-2025	Allethrin_RS_CONF86_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40425976; Eh
29-Jun-2025	Allethrin_RS_CONF94_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40376548; Eh
29-Jun-2025	Allethrin_RS_CONF9_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.39995280; Eh
29-Jun-2025	Allethrin_RS_CONF98_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40189674; Eh
29-Jun-2025	Allethrin_RS_CONF97_gas	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-965.40197819; Eh
4-Feb-2026	CpSRh_alkene_MI_H2_i2_sF62H64_93ts_ircr_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2253.02025872455670; Eh
4-Feb-2026	CpSRh_alkene_MI_H2_i2_sC34H63_29ts_ircr_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2253.04555934316932; Eh

Results 382601-382610 of 397899 (Search time: 0.245 seconds).